(3-chlorophenyl)-[4-(cyclohex-3-en-1-ylmethyl)piperazin-1-yl]methanone; ethanedioic acid

Systemtic Name: (3-chlorophenyl)-[4-(cyclohex-3-en-1-ylmethyl)piperazin-1-yl]methanone; ethanedioic acid Openeye Name: (3-chlorophenyl)-[4-(cyclohex-3-en-1-ylmethyl)piperazin-1-yl]methanone; oxalic acid CAS Name: (3-chlorophenyl)-[4-(1-cyclohex-3-enylmethyl)-1-piperazinyl]methanone; oxalic acid IUPAC Name: (3-chlorophenyl)-[4-(cyclohex-3-en-1-ylmethyl)piperazin-1-yl]methanone; oxalic acid Traditional Name: (3-chlorophenyl)-[4-(cyclohex-3-en-1-ylmethyl)piperazino]methanone; oxalic acid Formula: C20H25ClN2O5 MolecularWeight: 408.8759

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CC=C1)CN2CCN(CC2)C(=O)C3=CC(=CC=C3)Cl.C(=O)(C(=O)O)O

Isomeric SMILES

C1CC(CC=C1)CN2CCN(CC2)C(=O)C3=CC(=CC=C3)Cl.C(=O)(C(=O)O)O

InChI

InChI=1S/C18H23ClN2O.C2H2O4/c19-17-8-4-7-16(13-17)18(22)21-11-9-20(10-12-21)14-15-5-2-1-3-6-15;3-1(4)2(5)6/h1-2,4,7-8,13,15H,3,5-6,9-12,14H2;(H,3,4)(H,5,6)